N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine

C13H23NO — CID 115723659

IUPACN-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(CC)C1CCOC1
InChIInChI=1S/C13H23NO/c1-4-7-12(5-2)14-13(6-3)11-8-9-15-10-11/h1,11-14H,5-10H2,2-3H3
InChIKeyJDXQNLQFDMZRNB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds6

About N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine

N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine (PubChem CID 115723659) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
PubChem CID115723659
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(CC)C1CCOC1
InChIInChI=1S/C13H23NO/c1-4-7-12(5-2)14-13(6-3)11-8-9-15-10-11/h1,11-14H,5-10H2,2-3H3
InChIKeyJDXQNLQFDMZRNB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
CID 113260390
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine?
The IUPAC name of N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine (CID 115723659) is N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine is C#CCC(CC)NC(CC)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine?
The InChIKey is JDXQNLQFDMZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-7-12(5-2)14-13(6-3)11-8-9-15-10-11/h1,11-14H,5-10H2,2-3H3.
What are the key properties of N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine?
N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine is sourced from PubChem (CID 115723659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).